Anomalous phase separation in a correlated electron system: Machine-learning-enabled large-scale kinetic Monte Carlo simulations.

SignificancePhase separation is crucial to the functionalities of many correlated electron materials with notable examples including colossal magnetoresistance in manganites and high-Tc superconductivity in cuprates. However, the nonequilibrium phase-separation dynamics in such systems are poorly understood theoretically, partly because the required multiscale modeling is computationally very demanding. With the aid of machine-learning methods, we have achieved large-scale dynamical simulations in a representative correlated electron system. We observe an unusual relaxation process that is beyond the framework of classical phase-ordering theories. We also uncover a correlation-induced freezing behavior, which could be a generic feature of phase separation in correlated electron systems.

Arrested Phase Separation in Double-Exchange Models: Large-Scale Simulation Enabled by Machine Learning.

We present large-scale dynamical simulations of electronic phase separation in the single-band double-exchange model based on deep-learning neural-network potentials trained from small-size exact diagonalization solutions. We uncover an intriguing correlation-induced freezing behavior as doped holes are segregated from half filled insulating background during equilibration. While the aggregation of holes is stabilized by the formation of ferromagnetic clusters through Hund's coupling between charge carriers and local magnetic moments, this stabilization also creates confining potentials for holes when antiferromagnetic spin-spin correlation is well developed in the background. The dramatically reduced mobility of the self-trapped holes prematurely disrupts further growth of the ferromagnetic clusters, leading to an arrested phase separation. Implications of our findings for phase separation dynamics in materials that exhibit colossal magnetoresistance effect are discussed.

Hidden Plaquette Order in a Classical Spin Liquid Stabilized by Strong Off-Diagonal Exchange.

We report a new classical spin liquid in which the collective flux degrees of freedom break the translation symmetry of the honeycomb lattice. This exotic phase exists in the frustrated spin-orbit magnets where a dominant off-diagonal exchange, the so-called Γ term, results in a macroscopic ground-state degeneracy at the classical level. We demonstrate that the system undergoes a phase transition driven by thermal order by disorder at a critical temperature T_{c}≈0.04|Γ|. This transition reduces the emergent spherical spin symmetry to a cubic one: spins point predominantly toward the cubic axes, yet seem to remain disordered at T

Crystallites of magnetic charges in artificial spin ice.

Artificial spin ice is a class of lithographically created arrays of interacting ferromagnetic nanometre-scale islands. It was introduced to investigate many-body phenomena related to frustration and disorder in a material that could be tailored to precise specifications and imaged directly. Because of the large magnetic energy scales of these nanoscale islands, it has so far been impossible to thermally anneal artificial spin ice into desired thermodynamic ensembles; nearly all studies of artificial spin ice have either treated it as a granular material activated by alternating fields or focused on the as-grown state of the arrays. This limitation has prevented experimental investigation of novel phases that can emerge from the nominal ground states of frustrated lattices. For example, artificial kagome spin ice, in which the islands are arranged on the edges of a hexagonal net, is predicted to support states with monopolar charge order at entropies below that of the previously observed pseudo-ice manifold. Here we demonstrate a method for thermalizing artificial spin ices with square and kagome lattices by heating above the Curie temperature of the constituent material. In this manner, artificial square spin ice achieves unprecedented thermal ordering of the moments. In artificial kagome spin ice, we observe incipient crystallization of the magnetic charges embedded in pseudo-ice, with crystallites of magnetic charges whose size can be controlled by tuning the lattice constant. We find excellent agreement between experimental data and Monte Carlo simulations of emergent charge-charge interactions.

Mott Transition in a Metallic Liquid: Gutzwiller Molecular Dynamics Simulations.

We present a formulation of quantum molecular dynamics that includes electron correlation effects via the Gutzwiller method. Our new scheme enables the study of the dynamical behavior of atoms and molecules with strong electron interactions. The Gutzwiller approach goes beyond the conventional mean-field treatment of the intra-atomic electron repulsion and captures crucial correlation effects such as band narrowing and electron localization. We use Gutzwiller quantum molecular dynamics to investigate the Mott transition in the liquid phase of a single-band metal and uncover intriguing structural and transport properties of the atoms.

Resistivity Minimum in Highly Frustrated Itinerant Magnets.

We study the transport properties of frustrated itinerant magnets comprising localized classical moments, which interact via exchange with the conduction electrons. Strong frustration stabilizes a liquidlike spin state, which extends down to temperatures well below the effective Ruderman-Kittel-Kasuya-Yosida interaction scale. The crossover into this state is characterized by spin structure factor enhancement at wave vectors smaller than twice the Fermi wave vector magnitude. The corresponding enhancement of electron scattering generates a resistivity upturn at decreasing temperatures.

PT-symmetric phase in kagome-based photonic lattices.

The kagome lattice is a two-dimensional network of corner-sharing triangles and is often associated with geometrical frustration. In particular, the frustrated coupling between waveguide modes in a kagome array leads to a dispersionless flat band consisting of spatially localized modes. Here we propose a complex photonic lattice by placing PT-symmetric dimers at the kagome lattice points. Each dimer corresponds to a pair of strongly coupled waveguides. With balanced arrangement of gain and loss on individual dimers, the system exhibits a PT-symmetric phase for finite gain/loss parameter up to a critical value. The beam evolution in this complex kagome waveguide array exhibits a novel oscillatory rotation of optical power along the propagation distance. Long-lived local chiral structures originating from the nearly flat bands of the kagome structure are observed when the lattice is subject to a narrow beam excitation.

Four-coloring model and frustrated superfluidity in the diamond lattice.

We propose a novel four-coloring model which describes "frustrated superfluidity" of p-band bosons in the diamond optical lattice. The superfluid phases of the condensate wave functions on the diamond-lattice bonds are mapped to four distinct colors at low temperatures. The fact that a macroscopic number of states satisfy the constraints that four differently colored bonds meet at the same site leads to an extensive degeneracy in the superfluid ground state at the classical level. We demonstrate that the phase of the superfluid wave function as well as the orbital angular momentum correlations exhibit a power-law decay in the degenerate manifold that is described by an emergent magnetostatic theory with three independent flux fields. Our results thus provide a novel example of critical superfluid phase with algebraic order in three dimensions. We further show that quantum fluctuations favor a Néel ordering of orbital angular moments with broken sublattice symmetry through the order-by-disorder mechanism.

Stiffness from disorder in triangular-lattice Ising thin films.

We study the triangular lattice Ising model with a finite number of vertically stacked layers and demonstrate a low temperature reentrance of two Berezinskii-Kosterlitz-Thouless transitions, which results in an extended disordered regime down to T=0. Numerical results are complemented with the derivation of an effective low-temperature dimer theory. Contrary to order by disorder, we present a new scenario for fluctuation-induced ordering in frustrated spin systems. While short-range spin-spin correlations are enhanced by fluctuations, quasi-long-range ordering is precluded at low enough temperatures by proliferation of topological defects.

Raman scattering signatures of Kitaev spin liquids in A(2)IrO(3) iridates with A=Na or Li.

We show how Raman spectroscopy can serve as a valuable tool for diagnosing quantum spin liquids (QSL). We find that the Raman response of the gapless QSL of the Kitaev-Heisenberg model exhibits signatures of spin fractionalization into Majorana fermions, which give rise to a broad signal reflecting their density of states, and Z(2) gauge fluxes, which also contribute a sharp feature. We discuss the current experimental situation and explore more generally the effect of breaking the integrability on response functions of Kitaev spin liquids.

Magnetic field induced transition in vanadium spinels.

We study vanadium spinels AV2O4 (A = Cd,Mg) in pulsed magnetic fields up to 65 T. A jump in magnetization at µ0H≈40 T is observed in the single-crystal MgV2O4, indicating a field induced quantum phase transition between two distinct magnetic orders. In the multiferroic CdV2O4, the field induced transition is accompanied by a suppression of the electric polarization. By modeling the magnetic properties in the presence of strong spin-orbit coupling characteristic of vanadium spinels, we show that both features of the field induced transition can be successfully explained by including the effects of the local trigonal crystal field.

Nonequilibrium generation of charge defects in kagome spin ice under slow cooling.

Kagome spin ice is one of the canonical examples of highly frustrated magnets. The effective magnetic degrees of freedom in kagome spin ice are Ising spins residing on a two-dimensional network of corner-sharing triangles. Due to strong geometrical frustration, nearest-neighbor antiferromagnetic interactions on the kagome lattice give rise to a macroscopic number of degenerate classical ground states characterized by ice rules. Elementary excitations at low temperatures are defect-triangles that violate the ice rules and carry an additional net magnetic charge relative to the background. We perform large-scale Glauber dynamics simulations to study the nonequilibrium dynamics of kagome ice under slow cooling. We show that the density of residual charge defects exhibits a power-law dependence on the quench rate for the class of algebraic cooling protocols. The numerical results are well captured by the rate equation for the charge defects based on the reaction kinetics theory. As the relaxation time of the kagome ice phase remains finite, there is no dynamical freezing as in the Kibble-Zurek scenario. Instead, we show that the power-law behavior originates from a thermal excitation that decays algebraically with time at the late stage of the cooling schedule. Similarities and differences in quench dynamics of other spin ice systems are also discussed.

Dipolar order by disorder in the classical Heisenberg antiferromagnet on the kagome lattice.

Ever since the experiments which founded the field of highly frustrated magnetism, the kagome Heisenberg antiferromagnet has been the archetypical setting for the study of fluctuation induced exotic ordering. To this day the nature of its classical low-temperature state has remained a mystery: the nonlinear nature of the fluctuations around the exponentially numerous harmonically degenerate ground states has not permitted a controlled theory, while its complex energy landscape has precluded numerical simulations at low temperature, T. Here we present an efficient Monte Carlo algorithm which removes the latter obstacle. Our simulations detect a low-temperature regime in which correlations asymptote to a remarkably small value as T→0. Feeding these results into an effective model and analyzing the results in the framework of an appropriate field theory implies the presence of long-range dipolar spin order with a tripled unit cell.

Degeneracy and criticality from emergent frustration in artificial spin ice.

Although initially introduced to mimic the spin-ice pyrochlores, no artificial spin ice has yet exhibited the expected degenerate ice phase with critical correlations similar to the celebrated Coulomb phase in the pyrochlore lattice. Here we study a novel artificial spin ice based on a vertex-frustrated rather than pairwise frustrated geometry and show that it exhibits a quasicritical ice phase of extensive residual entropy and, significantly, algebraic correlations. Interesting in its own regard as a novel realization of frustration in a vertex system, our lattice opens new pathways to study defects in a critical manifold and to design degeneracy in artificial magnetic nanoarrays, a task so far elusive.

Electronic transport in the Coulomb phase of the pyrochlore spin ice.

We investigate the transport properties of itinerant electrons interacting with a background of localized spins in a correlated paramagnetic phase of the pyrochlore lattice. We find a residual resistivity at zero temperature due to the scattering of electrons by the static dipolar spin-spin correlation that characterizes the metallic Coulomb phase. As temperature increases, thermally excited topological defects, also known as magnetic monopoles, reduce the spin correlation, hence suppressing electron scattering. Combined with the usual scattering processes in metals at higher temperatures, this mechanism yields a nonmonotonic resistivity, displaying a minimum at temperature scales associated with the magnetic monopole excitation energy. Our calculations agree quantitatively with resistivity measurements in Nd(2)Ir(2)O(7) and Pr(2)Ir(2)O(7), shedding light on the origin of the resistivity minimum observed in metallic spin-ice compounds.

Machine learning for structure-property mapping of Ising models: Scalability and limitations.

We present a scalable machine learning (ML) framework for predicting intensive properties and particularly classifying phases of Ising models. Scalability and transferability are central to the unprecedented computational efficiency of ML methods. In general, linear-scaling computation can be achieved through the divide-and-conquer approach, and the locality of physical properties is key to partitioning the system into subdomains that can be solved separately. Based on the locality assumption, ML model is developed for the prediction of intensive properties of a finite-size block. Predictions of large-scale systems can then be obtained by averaging results of the ML model from randomly sampled blocks of the system. We show that the applicability of this approach depends on whether the block-size of the ML model is greater than the characteristic length scale of the system. In particular, in the case of phase identification across a critical point, the accuracy of the ML prediction is limited by the diverging correlation length. We obtain an intriguing scaling relation between the prediction accuracy and the ratio of ML block size over the spin-spin correlation length. Implications for practical applications are also discussed. While the two-dimensional Ising model is used to demonstrate the proposed approach, the ML framework can be generalized to other many-body or condensed-matter systems.

Spontaneous quantum Hall effect via a thermally induced quadratic Fermi point.

Gapless electronic systems containing topologically nontrivial Fermi points are sources of various topological insulators. Whereas, most of these special band-crossing points are built in the electronic structure of the noninteracting lattice models, we show that a quadratic Fermi point characterized by a nonzero winding number emerges with a collinear triple-Q spin-density-wave state that arises from a perfectly nested but topologically trivial Fermi surface. We obtain a universal low-energy Hamiltonian for the quadratic Fermi point and show that such collinear orderings are unstable against the onset of scalar spin chirality that opens a gap and induces a spontaneous quantum Hall insulator as the temperature tends to zero.

Itinerant half-metal spin-density-wave state on the hexagonal lattice.

We consider electrons on a honeycomb or triangular lattice doped to the saddle point of the band structure. We assume the system parameters are such that spin density wave (SDW) order emerges below a temperature T(N) and investigate the nature of the SDW phase. We argue that at T≤T(N), the system develops a uniaxial SDW phase whose ordering pattern breaks O(3)×Z(4) symmetry and corresponds to an eight-site unit cell with nonuniform spin moments on different sites. This state is a half-metal--it preserves the full original Fermi surface, but has gapless charged excitations in one spin branch only. It allows for electrical control of spin currents and is desirable for nanoscience.

Orbital disorder induced by charge fluctuations in vanadium spinels.

Motivated by recent experiments on vanadium spinels, AV2O4, that show an increasing degree of electronic delocalization for smaller cation sizes, we study the evolution of orbital ordering (OO) between the strong and intermediate-coupling regimes of a multiorbital Hubbard Hamiltonian. The underlying magnetic ordering of the Mott insulating state leads to a rapid suppression of OO due to enhanced charge fluctuations along ferromagnetic bonds. Orbital double occupancy is rather low at the transition point indicating that the system is in the crossover region between strong and intermediate-coupling regimes when the orbital degrees of freedom become disordered.

Evidence for pressure induced unconventional quantum criticality in the coupled spin ladder antiferromagnet C9H18N2CuBr4.

Quantum phase transitions in quantum matter occur at zero temperature between distinct ground states by tuning a nonthermal control parameter. Often, they can be accurately described within the Landau theory of phase transitions, similarly to conventional thermal phase transitions. However, this picture can break down under certain circumstances. Here, we present a comprehensive study of the effect of hydrostatic pressure on the magnetic structure and spin dynamics of the spin-1/2 ladder compound C9H18N2CuBr4. Single-crystal heat capacity and neutron diffraction measurements reveal that the Néel-ordered phase breaks down beyond a critical pressure of Pc ∼ 1.0 GPa through a continuous quantum phase transition. Estimates of the critical exponents suggest that this transition may fall outside the traditional Landau paradigm. The inelastic neutron scattering spectra at 1.3 GPa are characterized by two well-separated gapped modes, including one continuum-like and another resolution-limited excitation in distinct scattering channels, which further indicates an exotic quantum-disordered phase above Pc.